Geometry & MOs

Info

ID:	152118
PubChem CID:	56310978
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	438.206719
ΔH_f, kcal/mol:	13.01
Dipole, Da:	5.35
IP(EA), eV:	-8.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CSC(=N3)C4=NC=CC=N4

DOS

IR

Vibrations